CID 89785515

1261580-11-3

Structural Information

Molecular Formula

C₈H₇BrF₂O

SMILES

CC1=C(C(=CC=C1)OC(F)F)Br

InChI

InChI=1S/C8H7BrF2O/c1-5-3-2-4-6(7(5)9)12-8(10)11/h2-4,8H,1H3

InChIKey

FZOVAAGXCQQOHX-UHFFFAOYSA-N

Compound name

2-bromo-1-(difluoromethoxy)-3-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 235.96483 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.97211	140.7
[M+Na]+	258.95405	153.2
[M-H]-	234.95755	145.0
[M+NH4]+	253.99865	162.4
[M+K]+	274.92799	142.5
[M+H-H2O]+	218.96209	139.5
[M+HCOO]-	280.96303	160.2
[M+CH3COO]-	294.97868	189.1
[M+Na-2H]-	256.93950	146.4
[M]+	235.96428	158.0
[M]-	235.96538	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe